1-[(2-fluorophenyl)methyl]-5-methyl-N-methylidene-N'-[(Z)-prop-1-enyl]pyrazole-3-carboximidamide

C16H17FN4 — CID 126491235

IUPAC1-[(2-fluorophenyl)methyl]-5-methyl-N-methylidene-N'-[(Z)-prop-1-enyl]pyrazole-3-carboximidamide
SMILESC=N/C(=N\C=C/C)c1cc(C)n(Cc2ccccc2F)n1
InChIInChI=1S/C16H17FN4/c1-4-9-19-16(18-3)15-10-12(2)21(20-15)11-13-7-5-6-8-14(13)17/h4-10H,3,11H2,1-2H3/b9-4-,19-16-
InChIKeyPZTHSCIZSWLAIZ-HDTCCGIHSA-N
MW284.34 g/mol
LogP3.36
Rot. Bonds4

About 1-[(2-fluorophenyl)methyl]-5-methyl-N-methylidene-N'-[(Z)-prop-1-enyl]pyrazole-3-carboximidamide

1-[(2-fluorophenyl)methyl]-5-methyl-N-methylidene-N'-[(Z)-prop-1-enyl]pyrazole-3-carboximidamide (PubChem CID 126491235) has the molecular formula C16H17FN4 and a molecular weight of 284.34 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-5-methyl-N-methylidene-N'-[(Z)-prop-1-enyl]pyrazole-3-carboximidamide.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-5-methyl-N-methylidene-N'-[(Z)-prop-1-enyl]pyrazole-3-carboximidamide
PubChem CID126491235
Molecular FormulaC16H17FN4
Molecular Weight284.34 g/mol
Exact Mass284.14
IUPAC Name1-[(2-fluorophenyl)methyl]-5-methyl-N-methylidene-N'-[(Z)-prop-1-enyl]pyrazole-3-carboximidamide
SMILESC=N/C(=N\C=C/C)c1cc(C)n(Cc2ccccc2F)n1
InChIInChI=1S/C16H17FN4/c1-4-9-19-16(18-3)15-10-12(2)21(20-15)11-13-7-5-6-8-14(13)17/h4-10H,3,11H2,1-2H3/b9-4-,19-16-
InChIKeyPZTHSCIZSWLAIZ-HDTCCGIHSA-N
XLogP3.36
TPSA42.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-5-methyl-N-methylidene-N'-[(Z)-prop-1-enyl]pyrazole-3-carboximidamide?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-5-methyl-N-methylidene-N'-[(Z)-prop-1-enyl]pyrazole-3-carboximidamide (CID 126491235) is 1-[(2-fluorophenyl)methyl]-5-methyl-N-methylidene-N'-[(Z)-prop-1-enyl]pyrazole-3-carboximidamide.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-5-methyl-N-methylidene-N'-[(Z)-prop-1-enyl]pyrazole-3-carboximidamide?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-5-methyl-N-methylidene-N'-[(Z)-prop-1-enyl]pyrazole-3-carboximidamide is C=N/C(=N\C=C/C)c1cc(C)n(Cc2ccccc2F)n1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-5-methyl-N-methylidene-N'-[(Z)-prop-1-enyl]pyrazole-3-carboximidamide?
The InChIKey is PZTHSCIZSWLAIZ-HDTCCGIHSA-N. The full InChI is InChI=1S/C16H17FN4/c1-4-9-19-16(18-3)15-10-12(2)21(20-15)11-13-7-5-6-8-14(13)17/h4-10H,3,11H2,1-2H3/b9-4-,19-16-.
What are the key properties of 1-[(2-fluorophenyl)methyl]-5-methyl-N-methylidene-N'-[(Z)-prop-1-enyl]pyrazole-3-carboximidamide?
1-[(2-fluorophenyl)methyl]-5-methyl-N-methylidene-N'-[(Z)-prop-1-enyl]pyrazole-3-carboximidamide has a molecular weight of 284.34 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-5-methyl-N-methylidene-N'-[(Z)-prop-1-enyl]pyrazole-3-carboximidamide is sourced from PubChem (CID 126491235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).